ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_8 ✕ no_equ_5 ✕ no_equ_15 ✕ PBC ✕ Magnetic moment ✕ no_equ_28 ✕
1 Cu54Li ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 TTT 0.000 -
2 BeCu54 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 TTT -0.000 -
3 Cu54B ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 TTT 0.000 -
4 Cu54C ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 TTT -0.000 -
5 Cu54N ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 TTT -0.000 -
6 Cu54O ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 TTT 0.000 -
7 Cu54F ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 TTT -0.000 -
8 Cu54Ar ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 TTT -0.000 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005